2WZV
 
 | | Crystal structure of the FMN-dependent nitroreductase NfnB from Mycobacterium smegmatis | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, NFNB PROTEIN, ... | | Authors: | Bellinzoni, M, Manina, G, Riccardi, G, Alzari, P.M. | | Deposit date: | 2009-12-03 | | Release date: | 2010-07-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Biological and Structural Characterization of the Mycobacterium Smegmatis Nitroreductase Nfnb, and its Role in Benzothiazinone Resistance
Mol.Microbiol., 77, 2010
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1BPQ
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1CLM
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2WZW
 | | Crystal structure of the FMN-dependent nitroreductase NfnB from Mycobacterium smegmatis in complex with NADPH | | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NFNB PROTEIN, ... | | Authors: | Bellinzoni, M, Manina, G, Riccardi, G, Alzari, P.M. | | Deposit date: | 2009-12-03 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biological and Structural Characterization of the Mycobacterium Smegmatis Nitroreductase Nfnb, and its Role in Benzothiazinone Resistance
Mol.Microbiol., 77, 2010
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2X2B
 | | Crystal structure of malonyl-ACP (acyl carrier protein) from Bacillus subtilis | | Descriptor: | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid, ACYL CARRIER PROTEIN, PLATINUM (II) ION | | Authors: | Bellinzoni, M, Martinez, M.A, DeMendoza, D, Alzari, P.M. | | Deposit date: | 2010-01-12 | | Release date: | 2010-03-16 | | Last modified: | 2011-10-12 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | A Novel Role of Malonyl-Acp in Lipid Homeostasis.
Biochemistry, 49, 2010
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3DCV
 | | Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one | | Descriptor: | 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Bellamacina, C.R, Shafer, C.M, Lindvall, M, Gesner, T.G, Yabannavar, A, Weiping, J, Song, L, Walter, A. | | Deposit date: | 2008-06-04 | | Release date: | 2008-08-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3D8B
 | | Crystal structure of human fidgetin-like protein 1 in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Fidgetin-like protein 1 | | Authors: | Karlberg, T, Wisniewska, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Welin, M, Wikstrom, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-23 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human fidgetin-like protein 1.
To be Published
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3COU
 | | Crystal structure of human Nudix motif 16 (NUDT16) | | Descriptor: | Nucleoside diphosphate-linked moiety X motif 16 | | Authors: | Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Van Den Berg, S, Welin, M, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-03-29 | | Release date: | 2008-04-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human Nudix motif 16 (NUDT16).
To be Published
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3D3L
 | | The 2.6 A crystal structure of the lipoxygenase domain of human arachidonate 12-lipoxygenase, 12S-type | | Descriptor: | Arachidonate 12-lipoxygenase, 12S-type, FE (III) ION | | Authors: | Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Van Den Berg, S, Welin, M, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-12 | | Release date: | 2008-09-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the lipoxygenase domain of human Arachidonate 12-lipoxygenase, 12S-type.
To be Published
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3LS8
 | | Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol | | Descriptor: | 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, CHLORIDE ION, GLYCEROL, ... | | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kraulis, P, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van den Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-02-12 | | Release date: | 2010-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
To be Published
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3MCF
 | | Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 3-alpha | | Descriptor: | CITRATE ANION, Diphosphoinositol polyphosphate phosphohydrolase 3-alpha, GLYCEROL | | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-29 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 3-alpha
To be Published
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1EVP
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1EFO
 | | CRYSTAL STRUCTURE OF AN ADENINE BULGE IN THE RNA CHAIN OF A DNA/RNA HYBRID, D(CTCCTCTTC)/R(GAAGAGAGAG) | | Descriptor: | DNA (5'-D(*CP*TP*CP*CP*TP*CP*TP*TP*C)-3'), RNA (5'-R(*GP*AP*AP*GP*AP*GP*AP*GP*AP*G)-3') | | Authors: | Sudarsanakumar, C, Xiong, Y, Sundaralingam, M. | | Deposit date: | 2000-02-09 | | Release date: | 2000-05-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an adenine bulge in the RNA chain of a DNA.RNA hybrid, d(CTCCTCTTC).r(gaagagagag).
J.Mol.Biol., 299, 2000
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4QXS
 | | Crystal structure of human FPPS in complex with WC01088 | | Descriptor: | (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ... | | Authors: | Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2014-07-21 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.
Bioorg.Med.Chem.Lett., 25, 2015
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4ZZX
 | | Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor | | Descriptor: | 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2 | | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | | Deposit date: | 2015-04-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
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1W9C
 | | Proteolytic fragment of CRM1 spanning six C-terminal HEAT repeats | | Descriptor: | CRM1 PROTEIN | | Authors: | Petosa, C, Schoehn, G, Askjaer, P, Bauer, U, Moulin, M, Steuerwald, U, Soler-Lopez, M, Baudin, F, Mattaj, I.W, Muller, C.W. | | Deposit date: | 2004-10-08 | | Release date: | 2004-12-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Architecture of Crm1-Exportin 1 Suggests How Cooperativity is Achieved During Formation of a Nuclear Export Complex
Mol.Cell, 16, 2004
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1W08
 | | STRUCTURE OF T70N HUMAN LYSOZYME | | Descriptor: | CHLORIDE ION, LYSOZYME | | Authors: | Johnson, R, Christodoulou, J, Luisi, B, Dumoulin, M, Caddy, G, Alcocer, M, Murtagh, G, Archer, D.B, Dobson, C.M. | | Deposit date: | 2004-06-02 | | Release date: | 2004-06-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rationalising Lysozyme Amyloidosis: Insights from the Structure and Solution Dynamics of T70N Lysozyme.
J.Mol.Biol., 352, 2005
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4ZZN
 | | Human ERK2 in complex with an inhibitor | | Descriptor: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | Deposit date: | 2015-04-10 | | Release date: | 2015-05-27 | | Last modified: | 2015-08-26 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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4ZZM
 | | Human ERK2 in complex with an irreversible inhibitor | | Descriptor: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | Deposit date: | 2015-04-10 | | Release date: | 2015-05-27 | | Last modified: | 2015-08-26 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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5A6N
 | | Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2 | | Descriptor: | 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE, DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, ... | | Authors: | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | | Deposit date: | 2015-06-30 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2G91
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2GRB
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5AHN
 | | IMP-bound form of the D199N mutant of IMPDH from Pseudomonas aeruginosa | | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, MAGNESIUM ION | | Authors: | Labesse, G, Alexandre, T, Gelin, M, Haouz, A, Munier-Lehmann, H. | | Deposit date: | 2015-02-06 | | Release date: | 2015-07-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation
Acta Crystallogr.,Sect.D, 71, 2015
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4IFL
 | | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes | | Descriptor: | Nrf2 peptide, kelch-like ECH-associated protein 1 | | Authors: | Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. | | Deposit date: | 2012-12-14 | | Release date: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Acta Crystallogr.,Sect.D
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4IFN
 | | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes | | Descriptor: | (1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, kelch-like ECH-associated protein 1 | | Authors: | Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. | | Deposit date: | 2012-12-14 | | Release date: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Acta Crystallogr.,Sect.D
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